CAS Number306935-41-1
Synonyms1-Isopropyl-1H-benzotriazole-5-carb; oxylic acid; MFCD01570664; 1-(propan-2-yl)-1H-benzotriazole-5-carboxylic acid; 1-ISOPROPYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLIC ACID; 1-Isopropyl-1H-benzotriazole-5-carboxylic acid; 1-Isopropylbenzotriazole-5-carboxylic acid; FSLLRY-NH2; 1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid
Molecular FormulaC10H11N3O2
Molecular Weight205.21
Density1.4±0.1 g/cm3
Boiling Point413.9±18.0 °C at 760 mmHg
Melting Point229-230ºC
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 306935-41-1 |
| Catalog No. | 2A-9082943 |
| Chinese Name | 1-异丙基1,2,3-苯并三唑-5-羧酸 |
| Synonyms | 1-Isopropyl-1H-benzotriazole-5-carb; oxylic acid; MFCD01570664; 1-(propan-2-yl)-1H-benzotriazole-5-carboxylic acid; 1-ISOPROPYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLIC ACID; 1-Isopropyl-1H-benzotriazole-5-carboxylic acid; 1-Isopropylbenzotriazole-5-carboxylic acid; FSLLRY-NH2; 1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid |
| Molecular Formula | C10H11N3O2 |
| Molecular Weight | 205.21 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 413.9±18.0 °C at 760 mmHg |
| Melting Point | 229-230ºC |
| Appearance | solid |
| Storage Condition | Store at RT |
| Application | GPR109 receptor agonist-1 (compound 3a) is a highly selective agonist of the human orphan G protein-coupled receptor GPR109b, with a pEC50 of 6.4. GPR109-receptor agonist-1 can be used in the study of |
| HTC | 2933990090 |
| PubChem ID | 329787955 |
| MDL Number | MFCD01570664 |
| SMILES | CC(C)n1nnc2cc(ccc12)C(O)=O |
| InChI | 1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15) |
| InChI Key | RUTVRAJKELSHCC-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352106 |
| MSDS | msds/82943_1_306935_41_1.pdf |
| Bioactivity | GPR109 receptor agonist-1 (Compound 3a) is a highly selective agonist of the human orphan G-protein-coupled receptor GPR109b, with the pEC50 of 6.4. GPR109 receptor agonist-1 can be used for the research of cardio-metabolic diseases[1]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> GPCR/G Protein >> GPR109A Research Areas >> Metabolic Disease Target pEC50: 6.40 ± 0.36 (GPR109b)[1] References [1]. Graeme Semple, et al. 1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b. J Med Chem. 2006 Feb 23;49(4):1227-30. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 413.9±18.0 °C at 760 mmHg Melting Point 229-230ºC Molecular Formula C10H11N3O2 Molecular Weight 205.213 Flash Point 204.1±21.2 °C Exact Mass 205.085129 PSA 68.01000 LogP 2.05 Vapour Pressure 0.0±1.0 mmHg at 25°C Index of Refraction 1.655 InChIKey RUTVRAJKELSHCC-UHFFFAOYSA-N SMILES CC(C)n1nnc2cc(C(=O)O)ccc21 Storage condition Store at RT |
| Use of | Properties Name 1-propan-2-ylbenzotriazole-5-carboxylic acid Synonym More Synonyms Biological Activity Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> GPCR/G Protein >> GPR109A Research Areas >> Metabolic Disease References [1]. Graeme Semple, et al. 1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b. J Med Chem. 2006 Feb 23;49(4):1227-30. Chemical & Physical Properties Molecular Formula C10H11N3O2 Exact Mass 205.085129 PSA 68.01000 Index of Refraction 1.655 InChIKey RUTVRAJKELSHCC-UHFFFAOYSA-N Storage condition Store at RT |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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